Geometry & MOs

Info

ID:	178653
PubChem CID:	76362956
Reduced:	OSSiN4C15H24 (1)
Stoich.:	ABCD4E15F24 (1)
Weight, g/mol:	409.124232
ΔH_f, kcal/mol:	-20.81
Dipole, Da:	4.99
IP(EA), eV:	-8.66(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[Si](C)(C)CSC1NC2C(CNN2C3=CC=CC=C3)C(=O)N1

DOS

IR

Vibrations